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Target
Cytochrome P450 2D6
Ligand
BDBM50175299
Substrate
n/a
Meas. Tech.
ChEMBL_1581099 (CHEMBL3813397)
IC50
17000±n/a nM
Citation
 Fader, L; Brault, M; Desjardins, J; Dansereau, N; Lamorte, L; Tremblay, S; Bilodeau, F; Bordeleau, J; Duplessis, M; Gorys, V; Gillard, J; Gleason, JL; James, C; Joly, MA; Kuhn, C; Llinas-Brunet, M; Luo, L; Morency, L; Morin, S; Parisien, M; Poirier, M; Thibeault, C; Trinh, T; Sturino, C; Srivastava, S; Yoakim, C; Franti, M Discovery of Potent, Orally Bioavailable Inhibitors of Human Cytomegalovirus. ACS Med Chem Lett 7:525-30 (2016) [PubMed]  Article 
Target
Name:
Cytochrome P450 2D6
Synonyms:
CP2D6_HUMAN | CYP2D6 | CYP2DL1 | CYPIID6 | Cytochrome P450 2D6 (CYP2D6) | Debrisoquine 4-hydroxylase | P450-DB1
Type:
Protein
Mol. Mass.:
55774.82
Organism:
Homo sapiens (Human)
Description:
P10635
Residue:
497
Sequence:
MGLEALVPLAVIVAIFLLLVDLMHRRQRWAARYPPGPLPLPGLGNLLHVDFQNTPYCFDQLRRRFGDVFSLQLAWTPVVVLNGLAAVREALVTHGEDTADRPPVPITQILGFGPRSQGVFLARYGPAWREQRRFSVSTLRNLGLGKKSLEQWVTEEAACLCAAFANHSGRPFRPNGLLDKAVSNVIASLTCGRRFEYDDPRFLRLLDLAQEGLKEESGFLREVLNAVPVLLHIPALAGKVLRFQKAFLTQLDELLTEHRMTWDPAQPPRDLTEAFLAEMEKAKGNPESSFNDENLRIVVADLFSAGMVTTSTTLAWGLLLMILHPDVQRRVQQEIDDVIGQVRRPEMGDQAHMPYTTAVIHEVQRFGDIVPLGVTHMTSRDIEVQGFRIPKGTTLITNLSSVLKDEAVWEKPFRFHPEHFLDAQGHFVKPEAFLPFSAGRRACLGEPLARMELFLFFTSLLQHFSFSVPTGQPRPSHHGVFAFLVSPSPYELCAVPR
  
Inhibitor
Name:
BDBM50175299
Synonyms:
CHEMBL3808805
Type:
Small organic molecule
Emp. Form.:
C21H16F3N5O3S
Mol. Mass.:
475.444
SMILES:
CC(O)(c1nc(c[nH]1)-n1ccc(NC(=O)c2cscn2)cc1=O)c1cccc(c1)C(F)(F)F
Structure:
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